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Molecular-level computational investigation of shock-wave mitigation capability of polyurea

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Abstract

Various static and (equilibrium and non-equilibrium) dynamic molecular-level computational methods and tools are utilized in order to investigate the basic shock-wave physics and shock-wave material interactions in polyurea (a nano-phase segregated elastomeric co-polymer). The main goal of this investigation was to establish relationships between the nano-segregated polyurea microstructure (consisting of rod-shaped, discrete, so-called “hard domains” embedded into a highly compliant, so-called soft matrix) and the experimentally established superior capability of this material to disperse and attenuate resident shock waves (e.g., those generated as a result of blast-wave impact). By analyzing molecular-level interactions of the shock waves with polyurea, an attempt was made to identify and quantify main phenomena and viscous/inelastic deformation and microstructure-altering processes taking place at the shock front, which are most likely responsible for the superior shock-mitigation behavior of polyurea. Direct molecular-level simulations of shock-wave generation and propagation in the “strong-shock” regime are utilized in order to construct the appropriate shock-Hugoniot relations (relations which are used in the construction of the associated continuum-level material models). Extension of these relations into the “weak-shock” regime of interest from the traumatic brain injury prevention point of view is also discussed.

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Acknowledgements

The material presented in this paper is based on work supported by the Office of Naval Research (ONR) research contract entitled “Elastomeric Polymer-By-Design to Protect the Warfighter Against Traumatic Brain Injury by Diverting the Blast Induced Shock Waves from the Head”, Contract Number 4036-CU-ONR-1125 as funded through the Pennsylvania State University, the Army Research Office (ARO) research contract entitled “Multilength Scale Material Model Development for Armor-grade Composites”, Contract Number W911NF-09-1-0513, and the Army Research Laboratory (ARL) research contract entitled “Computational Analysis and Modeling of Various Phenomena Accompanying Detonation Explosives Shallow-Buried in Soil” Contract Number W911NF-06-2-0042. The authors are indebted to Drs. Roshdy Barsoum of ONR and Larry C. Russell, Jr. of ARO for their continuing support and interest in this study.

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Authors and Affiliations

  1. Department of Mechanical Engineering, Clemson University, 241 Engineering Innovation Building, Clemson, SC, 29634-0921, USA

    M. Grujicic, R. Yavari, J. S. Snipes & S. Ramaswami

  2. Department of Material Science and Engineering, Pennsylvania State University, University Park, PA, 16082, USA

    J. Runt

  3. Applied Research Laboratories, Pennsylvania State University, University Park, PA, 16082, USA

    J. Tarter & G. Dillon

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  1. M. Grujicic
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  2. R. Yavari
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  3. J. S. Snipes
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  4. S. Ramaswami
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  5. J. Runt
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  6. J. Tarter
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  7. G. Dillon
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Correspondence to M. Grujicic.

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Grujicic, M., Yavari, R., Snipes, J.S. et al. Molecular-level computational investigation of shock-wave mitigation capability of polyurea. J Mater Sci 47, 8197–8215 (2012). https://doi.org/10.1007/s10853-012-6716-4

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